N-(2-azanyl-3-phenyl-propanoyl)-N-[3-(4H-imidazol-4-yl)-1-(6-oxidanylhexylamino)-1-oxidanylidene-propan-2-yl]morpholine-4-carboxamide

Systemtic Name: N-(2-azanyl-3-phenyl-propanoyl)-N-[3-(4H-imidazol-4-yl)-1-(6-oxidanylhexylamino)-1-oxidanylidene-propan-2-yl]morpholine-4-carboxamide Openeye Name: N-(2-amino-3-phenyl-propanoyl)-N-[2-(6-hydroxyhexylamino)-1-(4H-imidazol-4-ylmethyl)-2-oxo-ethyl]morpholine-4-carboxamide CAS Name: N-(2-amino-1-oxo-3-phenylpropyl)-N-[1-(6-hydroxyhexylamino)-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]-4-morpholinecarboxamide IUPAC Name: N-(2-amino-3-phenylpropanoyl)-N-[1-(6-hydroxyhexylamino)-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]morpholine-4-carboxamide Traditional Name: N-[2-(6-hydroxyhexylamino)-1-(4H-imidazol-4-ylmethyl)-2-keto-ethyl]-N-phenylalanyl-morpholine-4-carboxamide Formula: C26H38N6O5 MolecularWeight: 514.61712

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)N(C(CC2C=NC=N2)C(=O)NCCCCCCO)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

C1COCCN1C(=O)N(C(CC2C=NC=N2)C(=O)NCCCCCCO)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C26H38N6O5/c27-22(16-20-8-4-3-5-9-20)25(35)32(26(36)31-11-14-37-15-12-31)23(17-21-18-28-19-30-21)24(34)29-10-6-1-2-7-13-33/h3-5,8-9,18-19,21-23,33H,1-2,6-7,10-17,27H2,(H,29,34)